(4-methylsulfanylphenyl)methyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid [4-(methylthio)benzyl] ester Formula: C20H21F2NO4S2 MolecularWeight: 441.511846

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H21F2NO4S2/c1-28-16-4-2-14(3-5-16)13-27-20(24)15-8-10-23(11-9-15)29(25,26)17-6-7-18(21)19(22)12-17/h2-7,12,15H,8-11,13H2,1H3